SCHEMBL12424302

SCHEMBL12424302

CCC1CC(F)(F)CN1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.35
DPP4 P27487 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
CETP P11597 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSK P43235 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PARP1 P09874 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL703953 0.89 NR1H2 (0.40) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL21730405 0.89 NR1H2 (0.34) NR1H2DPP4HDAC8CHRM2CHRM1
SCHEMBL26922100 0.89 NR1H2 (0.34) NR1H2DPP4HDAC8CHRM2CHRM1
SCHEMBL703952 0.89 NR1H2 (0.40) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL19540623 0.89 NR1H2 (0.34) NR1H2DPP4HDAC8CHRM2CHRM1
SCHEMBL19127641 0.89 NR1H2 (0.34) NR1H2DPP4HDAC8CHRM2CHRM1
SCHEMBL17001728 0.89 NR1H2 (0.40) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL15321300 0.87 HSD17B10 (0.33) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL33526043 0.87 HSD17B10 (0.33) NR1H2HDAC8CHRM2CHRM1CHRM3
SCHEMBL18382131 0.87 CASP3 (0.34) NR1H2HDAC8CETPCHRM2CHRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 NR1H2 176/4885DPP4 4642/4885HDAC8 775/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.